N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide

C16H16FN3OS — CID 68707433

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cn2c(CNC(=O)c3ccc(F)cc3C)c(C)nc2s1
InChIInChI=1S/C16H16FN3OS/c1-9-6-12(17)4-5-13(9)15(21)18-7-14-11(3)19-16-20(14)8-10(2)22-16/h4-6,8H,7H2,1-3H3,(H,18,21)
InChIKeyJTVXHRZTYFLXPO-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.39
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide (PubChem CID 68707433) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide
PubChem CID68707433
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cn2c(CNC(=O)c3ccc(F)cc3C)c(C)nc2s1
InChIInChI=1S/C16H16FN3OS/c1-9-6-12(17)4-5-13(9)15(21)18-7-14-11(3)19-16-20(14)8-10(2)22-16/h4-6,8H,7H2,1-3H3,(H,18,21)
InChIKeyJTVXHRZTYFLXPO-UHFFFAOYSA-N
XLogP3.39
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide (CID 68707433) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide is Cc1cn2c(CNC(=O)c3ccc(F)cc3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide?
The InChIKey is JTVXHRZTYFLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-9-6-12(17)4-5-13(9)15(21)18-7-14-11(3)19-16-20(14)8-10(2)22-16/h4-6,8H,7H2,1-3H3,(H,18,21).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 68707433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).